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606110-98-9 | 1H-Benzimidazole-1-acetamide,2-[[2-(hexahydro-1H-azepin-1-yl)-2-oxoethyl]thio]-N,N-bis(1-methylethyl)-(9CI)
CAS No: 606110-98-9 Catalog No: AG00EWKM MDL No:
Product Description
Catalog Number:
AG00EWKM
Chemical Name:
1H-Benzimidazole-1-acetamide,2-[[2-(hexahydro-1H-azepin-1-yl)-2-oxoethyl]thio]-N,N-bis(1-methylethyl)-(9CI)
CAS Number:
606110-98-9
IUPAC Name:
2-[2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
InChI:
InChI=1S/C23H34N4O2S/c1-17(2)27(18(3)4)21(28)15-26-20-12-8-7-11-19(20)24-23(26)30-16-22(29)25-13-9-5-6-10-14-25/h7-8,11-12,17-18H,5-6,9-10,13-16H2,1-4H3
InChI Key:
PEHLUHRABFZSHT-UHFFFAOYSA-N
Properties
Complexity:
570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.24g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
430.611g/mol
Monoisotopic Mass:
430.24g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
83.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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